CID 55296736

Methyl 5,5-difluoropiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1CC(CNC1)(F)F
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-7(8,9)4-10-3-5/h5,10H,2-4H2,1H3
InChIKey
VVHLPPLZWIWHPY-UHFFFAOYSA-N
Compound name
methyl 5,5-difluoropiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

179.07579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 135.4
[M+Na]+ 202.06501 142.2
[M-H]- 178.06851 133.3
[M+NH4]+ 197.10961 155.3
[M+K]+ 218.03895 140.8
[M+H-H2O]+ 162.07305 128.6
[M+HCOO]- 224.07399 151.0
[M+CH3COO]- 238.08964 175.9
[M+Na-2H]- 200.05046 139.3
[M]+ 179.07524 128.7
[M]- 179.07634 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe